N-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide

C26H28N4O4 — CID 11476699

IUPACN-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
SMILES[H]/N=C(\N)N(C(=O)Cc1ccccc1)c1ccc(CNC(=O)c2cc(OC)c(C)c(OC)c2)cc1
InChIInChI=1S/C26H28N4O4/c1-17-22(33-2)14-20(15-23(17)34-3)25(32)29-16-19-9-11-21(12-10-19)30(26(27)28)24(31)13-18-7-5-4-6-8-18/h4-12,14-15H,13,16H2,1-3H3,(H3,27,28)(H,29,32)
InChIKeyZANMEYMGDMMTLT-UHFFFAOYSA-N
MW460.53 g/mol
LogP3.41
Rot. Bonds8

About N-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide

N-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 11476699) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID11476699
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC NameN-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
SMILES[H]/N=C(\N)N(C(=O)Cc1ccccc1)c1ccc(CNC(=O)c2cc(OC)c(C)c(OC)c2)cc1
InChIInChI=1S/C26H28N4O4/c1-17-22(33-2)14-20(15-23(17)34-3)25(32)29-16-19-9-11-21(12-10-19)30(26(27)28)24(31)13-18-7-5-4-6-8-18/h4-12,14-15H,13,16H2,1-3H3,(H3,27,28)(H,29,32)
InChIKeyZANMEYMGDMMTLT-UHFFFAOYSA-N
XLogP3.41
TPSA117.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid
CID 119246780
N-[[2-(ethoxymethyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 37399073
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
ethyl 4-[5-[4-(benzylcarbamoyl)-2-methoxyphenoxy]pentoxy]benzenecarboximidate
CID 18991711
N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 34485959
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
N-[[2-[[2-amino-1-(2-methylphenyl)-2-oxoethyl]-methylamino]-4-carbamimidoylphenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 69490364
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
N-benzyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777041
N-[[4-carbamimidoyl-2-(2-methoxyethylamino)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 11338547

Frequently Asked Questions

What is the IUPAC name of N-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide (CID 11476699) is N-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide is [H]/N=C(\N)N(C(=O)Cc1ccccc1)c1ccc(CNC(=O)c2cc(OC)c(C)c(OC)c2)cc1.
What is the InChIKey of N-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is ZANMEYMGDMMTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-17-22(33-2)14-20(15-23(17)34-3)25(32)29-16-19-9-11-21(12-10-19)30(26(27)28)24(31)13-18-7-5-4-6-8-18/h4-12,14-15H,13,16H2,1-3H3,(H3,27,28)(H,29,32).
What are the key properties of N-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide?
N-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 460.53 g/mol, XLogP of 3.41, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[carbamimidoyl-(2-phenylacetyl)amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 11476699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).